General Information of the Compound
| Compound ID |
CP0398384
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| Compound Name |
[(3S)-1-[7-chloro-2-[2-chloro-5-[(2-methylpropanoylamino)methyl]phenyl]-4-oxo-3H-quinazolin-6-yl]pyrrolidin-3-yl] acetate
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| Structure |
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| Formula |
C25H26Cl2N4O4
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| Molecular Weight |
517.413
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| Canonical SMILES |
CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)N1CC[C@@H](C1)OC(C)=O
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| InChI |
InChI=1S/C25H26Cl2N4O4/c1-13(2)24(33)28-11-15-4-5-19(26)17(8-15)23-29-21-10-20(27)22(9-18(21)25(34)30-23)31-7-6-16(12-31)35-14(3)32/h4-5,8-10,13,16H,6-7,11-12H2,1-3H3,(H,28,33)(H,29,30,34)/t16-/m0/s1
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| InChIKey |
RXYPTNOKEYBZPF-INIZCTEOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound